Molecule

ID:85509

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₄
Molecular Mass
223.22522
Exact Mass
223.0844579
Charge
0
InChI
InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-7-10(15-2)4-5-11(9)16-3/h4-7H,1-3H3
InChIKey
MQFREHNTGKNSRH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1/C=C(/[N+](=O)[O-])\C)OC
Isomeric Smiles
[N+](=O)(/C(=C/c1c(ccc(c1)OC)OC)/C)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8843448
LogD (pH = 7.4)
1.8843448
Log P
1.8843448
Molar Refractivity
60.7938
Polarizability
22.647243
Polar Surface Area
64.28
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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